6 citations · 6 across the 1 of their papers we have counts for
2 papers
cs.LG2024★ 6 cited
BoFire: Bayesian Optimization Framework Intended for Real Experiments
Johannes P. Dürholt, Thomas S. Asche, Johanna Kleinekorte +15
Our open-source Python package BoFire combines Bayesian Optimization (BO) with other design of experiments (DoE) strategies focusing on developing and optimizing new chemistry. Pre…
cond-mat.mtrl-sci2023
Learning a reactive potential for silica-water through uncertainty attribution
Swagata Roy, Johannes P. Dürholt, Thomas S. Asche +2
The reactivity of silicates in an aqueous solution is relevant to various chemistries ranging from silicate minerals in geology, to the C-S-H phase in cement, nanoporous zeolite ca…